Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE HIS 160.A O no hydrogen 2.858 N/A ARG 2.A NH1 ASP 184.A OD2 no hydrogen 3.078 N/A ARG 2.A NH2 HIS 160.A O no hydrogen 3.065 N/A ASP 3.A N GLN 159.A O no hydrogen 3.067 N/A ASN 6.A N ASP 3.A OD2 no hydrogen 3.074 N/A ASN 6.A ND2 GLU 71.A OE2 no hydrogen 3.023 N/A HIS 7.A ND1 LEU 4.A O no hydrogen 2.785 N/A HIS 7.A NE2 TYR 38.A OH no hydrogen 2.607 N/A LEU 8.A N ALA 161.A O no hydrogen 2.729 N/A LEU 9.A N HIS 41.A O no hydrogen 3.355 N/A PHE 10.A N VAL 163.A O no hydrogen 2.811 N/A GLU 11.A N HIS 43.A O no hydrogen 2.991 N/A THR 12.A N HIS 165.A O no hydrogen 2.688 N/A ALA 13.A N ILE 45.A O no hydrogen 2.992 N/A ASN 18.A ND2 THR 14.A O no hydrogen 3.212 N/A TYR 24.A OH GLU 56.A OE1 no hydrogen 2.979 N/A SER 25.A OG GLY 22.A O no hydrogen 3.126 N/A VAL 26.A N GLY 22.A O no hydrogen 3.260 N/A LEU 27.A N ILE 23.A O no hydrogen 2.917 N/A LYS 28.A N TYR 24.A O no hydrogen 2.986 N/A SER 29.A N SER 25.A O no hydrogen 3.085 N/A SER 29.A OG SER 25.A O no hydrogen 2.903 N/A SER 29.A OG VAL 26.A O no hydrogen 3.220 N/A SER 29.A OG GLY 269.A O no hydrogen 3.507 N/A LYS 30.A N VAL 26.A O no hydrogen 3.100 N/A LYS 30.A NZ GLU 11.A OE1 no hydrogen 2.740 N/A LYS 30.A NZ GLU 11.A OE2 no hydrogen 3.224 N/A ALA 31.A N LYS 28.A O no hydrogen 3.042 N/A THR 34.A N LYS 30.A O no hydrogen 3.121 N/A THR 34.A OG1 LYS 30.A O no hydrogen 2.813 N/A THR 34.A OG1 ALA 31.A O no hydrogen 3.390 N/A VAL 35.A N ALA 31.A O no hydrogen 2.778 N/A ALA 36.A N PRO 32.A O no hydrogen 2.627 N/A GLN 37.A N ILE 33.A O no hydrogen 3.255 N/A TYR 38.A N THR 34.A O no hydrogen 2.944 N/A TYR 38.A OH HIS 7.A NE2 no hydrogen 2.607 N/A LYS 39.A N VAL 35.A O no hydrogen 2.684 N/A LYS 39.A NZ ALA 36.A O no hydrogen 3.549 N/A HIS 41.A N TYR 38.A O no hydrogen 3.024 N/A HIS 41.A ND1 TYR 38.A O no hydrogen 3.201 N/A HIS 41.A NE2 GLU 71.A OE2 no hydrogen 3.174 N/A TYR 42.A OH GLU 11.A OE1 no hydrogen 2.775 N/A HIS 43.A N LEU 9.A O no hydrogen 3.130 N/A LEU 44.A N LYS 101.A O no hydrogen 3.108 N/A ILE 45.A N GLU 11.A O no hydrogen 3.051 N/A GLY 46.A N ILE 103.A O no hydrogen 3.387 N/A LEU 48.A N PHE 105.A O no hydrogen 3.057 N/A LYS 50.A NZ ASP 106.A OD1 no hydrogen 2.745 N/A ALA 51.A N ASN 49.A OD1 no hydrogen 3.189 N/A THR 52.A N ASN 49.A O no hydrogen 3.104 N/A TYR 53.A N ASN 49.A O no hydrogen 2.867 N/A GLN 54.A NE2 TYR 53.A OH no hydrogen 3.173 N/A ASN 55.A N ASN 55.A OD1 no hydrogen 2.545 N/A GLU 56.A N TYR 53.A O no hydrogen 3.416 N/A LEU 60.A N TYR 91.A O no hydrogen 2.937 N/A ALA 67.A N LYS 64.A O no hydrogen 2.976 N/A MET 72.A N SER 69.A OG no hydrogen 3.095 N/A ARG 73.A NH2 PRO 65.A O no hydrogen 2.843 N/A VAL 75.A N MET 72.A O no hydrogen 3.352 N/A GLN 76.A N ARG 73.A O no hydrogen 2.728 N/A GLN 76.A NE2 TRP 62.A O no hydrogen 3.361 N/A GLN 76.A NE2 LYS 64.A O no hydrogen 3.484 N/A ALA 78.A N PRO 74.A O no hydrogen 3.209 N/A LEU 79.A N VAL 75.A O no hydrogen 3.185 N/A GLN 80.A N GLN 76.A O no hydrogen 2.962 N/A THR 81.A N HIS 77.A O no hydrogen 3.054 N/A THR 81.A OG1 HIS 77.A O no hydrogen 2.924 N/A MET 82.A N ALA 78.A O no hydrogen 3.190 N/A GLU 83.A N LEU 79.A O no hydrogen 3.284 N/A GLU 83.A N GLN 80.A O no hydrogen 2.766 N/A SER 84.A N GLN 80.A O no hydrogen 2.958 N/A ARG 85.A N THR 81.A O no hydrogen 3.353 N/A GLY 86.A N GLU 83.A O no hydrogen 2.952 N/A VAL 87.A N MET 82.A O no hydrogen 2.882 N/A HIS 88.A N SER 109.A OG no hydrogen 3.055 N/A VAL 90.A N LEU 104.A O no hydrogen 2.803 N/A ARG 93.A N ASP 58.A O no hydrogen 2.851 N/A TRP 94.A N PRO 100.A O no hydrogen 2.977 N/A TRP 94.A NE1 GLU 56.A OE1 no hydrogen 3.193 N/A LEU 95.A N GLU 56.A O no hydrogen 2.971 N/A ILE 96.A N TRP 94.A O no hydrogen 2.709 N/A VAL 102.A N GLY 92.A O no hydrogen 2.979 N/A ILE 103.A N LEU 44.A O no hydrogen 2.991 N/A LEU 104.A N VAL 90.A O no hydrogen 3.076 N/A PHE 105.A N GLY 46.A O no hydrogen 3.205 N/A ASP 106.A N HIS 88.A O no hydrogen 3.131 N/A SER 109.A N ASP 106.A O no hydrogen 3.127 N/A SER 109.A OG HIS 88.A O no hydrogen 3.391 N/A SER 109.A OG ASP 106.A O no hydrogen 2.664 N/A VAL 110.A N LEU 107.A O no hydrogen 3.409 N/A ARG 111.A N ASP 108.A O no hydrogen 3.103 N/A TYR 113.A N VAL 110.A O no hydrogen 2.728 N/A SER 114.A N ARG 111.A O no hydrogen 3.323 N/A SER 114.A OG ASN 115.A OD1 no hydrogen 3.378 N/A SER 114.A OG GLU 131.A OE2 no hydrogen 3.349 N/A TRP 117.A N TYR 113.A O no hydrogen 3.114 N/A LYS 118.A N SER 114.A O no hydrogen 2.783 N/A LYS 118.A NZ GLU 131.A OE2 no hydrogen 3.450 N/A GLY 119.A N ASN 115.A O no hydrogen 3.137 N/A ASP 120.A N GLU 116.A O no hydrogen 2.872 N/A LEU 121.A N TRP 117.A O no hydrogen 2.831 N/A TRP 122.A N LYS 118.A O no hydrogen 3.368 N/A SER 123.A N GLY 119.A O no hydrogen 3.219 N/A SER 123.A OG GLY 119.A O no hydrogen 2.824 N/A SER 123.A OG ASP 120.A O no hydrogen 3.460 N/A VAL 125.A N LEU 121.A O no hydrogen 2.837 N/A GLY 126.A N LEU 121.A O no hydrogen 3.066 N/A THR 136.A N ASP 133.A OD1 no hydrogen 2.818 N/A ASN 137.A N ASP 133.A O no hydrogen 3.221 N/A ASN 137.A ND2 GLU 131.A O no hydrogen 2.722 N/A ASP 138.A N PHE 134.A O no hydrogen 3.342 N/A ALA 139.A N GLU 135.A O no hydrogen 2.877 N/A ILE 140.A N THR 136.A O no hydrogen 3.000 N/A LEU 141.A N ASN 137.A O no hydrogen 2.890 N/A LEU 142.A N ASP 138.A O no hydrogen 2.699 N/A GLY 143.A N ALA 139.A O no hydrogen 2.759 N/A TYR 144.A N ILE 140.A O no hydrogen 3.321 N/A TYR 144.A OH ASP 120.A OD2 no hydrogen 2.841 N/A THR 145.A N LEU 141.A O no hydrogen 3.291 N/A THR 145.A OG1 LEU 141.A O no hydrogen 2.304 N/A VAL 146.A N LEU 142.A O no hydrogen 3.089 N/A ALA 147.A N GLY 143.A O no hydrogen 3.002 N/A TRP 148.A N TYR 144.A O no hydrogen 2.933 N/A PHE 149.A N THR 145.A O no hydrogen 3.029 N/A LEU 150.A N VAL 146.A O no hydrogen 2.669 N/A GLY 151.A N ALA 147.A O no hydrogen 2.851 N/A GLU 152.A N TRP 148.A O no hydrogen 3.040 N/A GLU 152.A N PHE 149.A O no hydrogen 2.948 N/A VAL 153.A N PHE 149.A O no hydrogen 3.010 N/A ALA 154.A N LEU 150.A O no hydrogen 2.944 N/A LEU 156.A N GLU 152.A O no hydrogen 2.955 N/A ASP 157.A N VAL 153.A O no hydrogen 3.007 N/A GLN 159.A N ASP 157.A OD1 no hydrogen 2.749 N/A HIS 160.A N ASP 157.A OD1 no hydrogen 2.897 N/A HIS 160.A ND1 ASP 157.A OD2 no hydrogen 2.756 N/A HIS 160.A NE2 GLU 71.A OE2 no hydrogen 2.770 N/A ALA 161.A N ASP 3.A O no hydrogen 3.014 N/A VAL 163.A N LEU 8.A O no hydrogen 2.727 N/A ALA 164.A N VAL 186.A O no hydrogen 2.735 N/A HIS 165.A N PHE 10.A O no hydrogen 2.801 N/A HIS 165.A NE2 THR 190.A OG1 no hydrogen 2.687 N/A PHE 166.A N ILE 188.A O no hydrogen 2.882 N/A HIS 167.A N THR 12.A O no hydrogen 3.202 N/A HIS 167.A ND1 HIS 192.A NE2 no hydrogen 2.651 N/A HIS 167.A NE2 GLU 11.A OE2 no hydrogen 2.857 N/A GLU 168.A N THR 190.A O no hydrogen 2.782 N/A ALA 171.A N GLU 168.A O no hydrogen 2.996 N/A GLY 172.A N TRP 169.A O no hydrogen 2.923 N/A LEU 175.A N GLY 172.A O no hydrogen 3.201 N/A CYS 178.A N ALA 174.A O no hydrogen 3.078 N/A CYS 178.A SG ALA 174.A O no hydrogen 3.301 N/A ARG 179.A N LEU 175.A O no hydrogen 3.326 N/A LYS 180.A N PRO 176.A O no hydrogen 3.231 N/A ARG 181.A N LEU 177.A O no hydrogen 2.674 N/A ILE 183.A N CYS 178.A O no hydrogen 3.154 N/A VAL 186.A N ILE 162.A O no hydrogen 2.709 N/A THR 187.A N ASP 241.A OD2 no hydrogen 3.084 N/A ILE 188.A N ALA 164.A O no hydrogen 2.919 N/A PHE 189.A N VAL 242.A O no hydrogen 2.829 N/A THR 190.A N PHE 166.A O no hydrogen 2.777 N/A THR 190.A OG1 HIS 165.A NE2 no hydrogen 2.687 N/A THR 190.A OG1 THR 244.A OG1 no hydrogen 2.779 N/A THR 191.A N THR 244.A O no hydrogen 3.047 N/A THR 191.A OG1 GLU 168.A OE1 no hydrogen 3.283 N/A THR 191.A OG1 ALA 193.A O no hydrogen 3.205 N/A HIS 192.A N GLU 168.A OE2 no hydrogen 2.537 N/A HIS 192.A NE2 HIS 167.A ND1 no hydrogen 2.651 N/A THR 194.A OG1 GLU 253.A OE1 no hydrogen 2.162 N/A LEU 195.A N GLU 233.A OE1 no hydrogen 3.074 N/A LEU 195.A N GLU 233.A OE2 no hydrogen 2.908 N/A GLY 197.A N THR 194.A OG1 no hydrogen 3.271 N/A ARG 198.A N THR 194.A O no hydrogen 3.474 N/A TYR 199.A N LEU 195.A O no hydrogen 3.514 N/A LEU 200.A N LEU 196.A O no hydrogen 2.868 N/A CYS 201.A N GLY 197.A O no hydrogen 3.160 N/A CYS 201.A SG GLY 197.A O no hydrogen 3.182 N/A ALA 202.A N ARG 198.A O no hydrogen 3.100 N/A ALA 202.A N TYR 199.A O no hydrogen 3.290 N/A SER 203.A N TYR 199.A O no hydrogen 3.484 N/A SER 203.A OG TYR 199.A O no hydrogen 3.277 N/A SER 203.A OG LEU 200.A O no hydrogen 3.547 N/A TYR 209.A OH TYR 506.A O no hydrogen 2.544 N/A ASN 210.A N ASP 207.A O no hydrogen 3.156 N/A ASN 210.A N ASP 207.A OD1 no hydrogen 3.330 N/A ASN 210.A ND2 ASP 207.A OD2 no hydrogen 3.256 N/A CYS 211.A N ASP 207.A O no hydrogen 3.303 N/A CYS 211.A SG ASP 207.A O no hydrogen 3.667 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 3.069 N/A SER 214.A OG CYS 211.A O no hydrogen 3.497 N/A VAL 215.A N LEU 212.A O no hydrogen 3.213 N/A HIS 219.A N ASP 216.A OD1 no hydrogen 3.349 N/A GLU 220.A N ASP 216.A O no hydrogen 3.034 N/A ALA 221.A N VAL 217.A O no hydrogen 3.050 N/A GLY 222.A N ASP 218.A O no hydrogen 3.128 N/A ARG 223.A N HIS 219.A O no hydrogen 2.807 N/A ARG 223.A NE GLU 220.A OE2 no hydrogen 3.123 N/A ARG 223.A NH2 GLU 220.A OE2 no hydrogen 2.804 N/A PHE 224.A N GLU 220.A O no hydrogen 3.036 N/A GLY 225.A N GLY 222.A O no hydrogen 2.753 N/A ILE 226.A N ALA 221.A O no hydrogen 2.914 N/A HIS 228.A NE2 ASP 133.A OD2 no hydrogen 2.852 N/A ARG 229.A NE ASP 133.A OD2 no hydrogen 2.844 N/A ARG 229.A NH2 ASP 133.A OD1 no hydrogen 2.833 N/A ARG 229.A NH2 ASP 133.A OD2 no hydrogen 3.005 N/A ARG 229.A NH2 GLU 135.A OE1 no hydrogen 3.230 N/A TYR 230.A N ILE 226.A O no hydrogen 3.175 N/A TYR 230.A OH LEU 257.A O no hydrogen 2.846 N/A CYS 231.A N TYR 227.A O no hydrogen 3.198 N/A CYS 231.A N HIS 228.A O no hydrogen 3.286 N/A CYS 231.A SG TYR 227.A O no hydrogen 3.270 N/A GLU 233.A N ARG 229.A O no hydrogen 3.181 N/A ARG 234.A N TYR 230.A O no hydrogen 2.947 N/A ALA 235.A N CYS 231.A O no hydrogen 2.907 N/A ALA 236.A N ILE 232.A O no hydrogen 2.752 N/A ALA 237.A N GLU 233.A O no hydrogen 3.039 N/A HIS 238.A N ARG 234.A O no hydrogen 3.085 N/A HIS 238.A NE2 LEU 258.A O no hydrogen 2.698 N/A SER 239.A N ALA 235.A O no hydrogen 2.770 N/A ASP 241.A N THR 187.A OG1 no hydrogen 2.912 N/A VAL 242.A N THR 187.A O no hydrogen 2.980 N/A PHE 243.A N ASP 263.A OD2 no hydrogen 3.098 N/A THR 244.A N PHE 189.A O no hydrogen 2.967 N/A THR 244.A OG1 PHE 189.A O no hydrogen 3.009 N/A THR 245.A OG1 SER 247.A O no hydrogen 2.738 N/A SER 247.A OG PRO 509.A O no hydrogen 2.869 N/A THR 250.A N SER 247.A O no hydrogen 3.297 N/A THR 250.A OG1 SER 247.A OG no hydrogen 3.039 N/A ALA 251.A N SER 247.A O no hydrogen 3.045 N/A PHE 252.A N GLN 248.A O no hydrogen 3.014 N/A GLU 253.A N ILE 249.A O no hydrogen 3.243 N/A ALA 254.A N THR 250.A O no hydrogen 2.806 N/A GLU 255.A N ALA 251.A O no hydrogen 2.950 N/A HIS 256.A ND1 PHE 252.A O no hydrogen 3.018 N/A LEU 257.A N GLU 253.A O no hydrogen 3.076 N/A LEU 258.A N ALA 254.A O no hydrogen 2.785 N/A LYS 259.A NZ HIS 256.A O no hydrogen 2.909 N/A ARG 260.A NH1 ALA 237.A O no hydrogen 2.584 N/A ARG 260.A NH1 ALA 240.A O no hydrogen 2.662 N/A ARG 260.A NH2 ALA 240.A O no hydrogen 3.466 N/A ARG 260.A NH2 ASP 241.A O no hydrogen 2.831 N/A ASP 263.A N PHE 243.A O no hydrogen 2.653 N/A LEU 266.A N THR 245.A O no hydrogen 2.720 N/A LEU 270.A N LEU 596.A O no hydrogen 3.210 N/A VAL 272.A N ASP 597.A OD1 no hydrogen 3.199 N/A LYS 274.A NZ ASP 594.A OD1 no hydrogen 3.192 N/A GLU 280.A N ALA 277.A O no hydrogen 3.086 N/A ASN 283.A ND2 GLU 280.A OE1 no hydrogen 3.177 N/A LEU 284.A N GLU 280.A O no hydrogen 3.168 N/A HIS 285.A N PHE 281.A O no hydrogen 3.001 N/A HIS 285.A ND1 ARG 496.A O no hydrogen 2.878 N/A ALA 286.A N GLN 282.A O no hydrogen 3.428 N/A LEU 287.A N ASN 283.A O no hydrogen 2.906 N/A LYS 288.A N LEU 284.A O no hydrogen 2.701 N/A LYS 289.A N HIS 285.A O no hydrogen 2.656 N/A GLU 290.A N ALA 286.A O no hydrogen 3.118 N/A LYS 291.A N LYS 288.A O no hydrogen 3.076 N/A ASN 293.A N LYS 289.A O no hydrogen 2.812 N/A ASN 293.A ND2 GLU 290.A OE1 no hydrogen 3.107 N/A ASP 294.A N GLU 290.A O no hydrogen 2.994 N/A PHE 295.A N LYS 291.A O no hydrogen 3.318 N/A VAL 296.A N ILE 292.A O no hydrogen 2.842 N/A ARG 297.A N ASN 293.A O no hydrogen 3.105 N/A ARG 297.A NH2 GLU 290.A OE2 no hydrogen 3.194 N/A HIS 299.A N PHE 295.A O no hydrogen 2.941 N/A HIS 299.A NE2 PRO 440.A O no hydrogen 2.821 N/A PHE 300.A N VAL 296.A O no hydrogen 2.934 N/A HIS 301.A ND1 LEU 431.A O no hydrogen 2.687 N/A HIS 301.A NE2 GLU 366.A OE2 no hydrogen 2.968 N/A CYS 303.A N PHE 300.A O no hydrogen 3.051 N/A ASP 309.A N ASP 307.A OD1 no hydrogen 3.135 N/A ASN 310.A N ASP 307.A O no hydrogen 2.591 N/A THR 311.A N LEU 308.A O no hydrogen 3.185 N/A THR 311.A OG1 ASP 307.A O no hydrogen 3.313 N/A LEU 312.A N THR 349.A O no hydrogen 2.711 N/A TYR 313.A N HIS 499.A ND1 no hydrogen 2.817 N/A TYR 313.A OH ASN 293.A OD1 no hydrogen 2.566 N/A PHE 314.A N VAL 351.A O no hydrogen 3.080 N/A PHE 315.A N LEU 500.A O no hydrogen 3.175 N/A ILE 316.A N PHE 353.A O no hydrogen 2.978 N/A GLY 318.A N VAL 355.A O no hydrogen 3.178 N/A TYR 320.A OH ASP 452.A OD1 no hydrogen 2.510 N/A TYR 320.A OH ASP 452.A OD2 no hydrogen 3.062 N/A GLU 321.A N ARG 319.A O no hydrogen 2.863 N/A LYS 325.A N GLU 321.A O no hydrogen 2.984 N/A LYS 325.A NZ ALA 317.A O no hydrogen 2.938 N/A GLY 326.A N LYS 323.A O no hydrogen 3.305 N/A ALA 327.A N TYR 322.A O no hydrogen 3.126 N/A MET 329.A N ASP 328.A OD1 no hydrogen 2.809 N/A PHE 330.A N GLY 326.A O no hydrogen 2.846 N/A ILE 331.A N ALA 327.A O no hydrogen 2.922 N/A GLU 332.A N ASP 328.A O no hydrogen 3.089 N/A ALA 333.A N MET 329.A O no hydrogen 2.875 N/A LEU 334.A N PHE 330.A O no hydrogen 3.136 N/A LEU 334.A N ILE 331.A O no hydrogen 2.897 N/A ALA 335.A N ILE 331.A O no hydrogen 3.214 N/A ARG 336.A N GLU 332.A O no hydrogen 3.218 N/A ARG 336.A NE GLU 332.A OE2 no hydrogen 2.739 N/A ARG 336.A NH1 GLU 565.A OE2 no hydrogen 2.978 N/A ARG 336.A NH2 GLU 332.A OE2 no hydrogen 3.319 N/A ARG 336.A NH2 ASP 561.A OD2 no hydrogen 3.211 N/A LEU 337.A N ALA 333.A O no hydrogen 2.933 N/A ASN 338.A N LEU 334.A O no hydrogen 2.663 N/A ASN 338.A ND2 ASP 469.A OD1 no hydrogen 2.776 N/A TYR 339.A N ALA 335.A O no hydrogen 3.157 N/A ARG 340.A N ARG 336.A O no hydrogen 2.915 N/A ARG 340.A NH1 ASP 569.A OD1 no hydrogen 2.791 N/A ARG 340.A NH1 GLU 572.A OE1 no hydrogen 2.806 N/A ARG 340.A NH2 GLU 565.A O no hydrogen 3.404 N/A ARG 340.A NH2 ASP 569.A OD1 no hydrogen 2.772 N/A LEU 341.A N LEU 337.A O no hydrogen 2.823 N/A LYS 342.A N ASN 338.A O no hydrogen 3.074 N/A LYS 342.A NZ SER 468.A O no hydrogen 3.305 N/A VAL 343.A N TYR 339.A O no hydrogen 3.008 N/A SER 344.A N ARG 340.A O no hydrogen 3.136 N/A SER 344.A OG ARG 340.A O no hydrogen 2.885 N/A SER 344.A OG LEU 341.A O no hydrogen 3.131 N/A GLY 345.A N LYS 342.A O no hydrogen 3.029 N/A SER 346.A N LEU 341.A O no hydrogen 2.962 N/A LYS 348.A NZ VAL 575.A O no hydrogen 3.041 N/A VAL 350.A N ARG 470.A O no hydrogen 3.063 N/A VAL 351.A N LEU 312.A O no hydrogen 3.015 N/A ALA 352.A N LYS 472.A O no hydrogen 2.829 N/A PHE 353.A N PHE 314.A O no hydrogen 2.705 N/A ILE 354.A N ILE 474.A O no hydrogen 2.952 N/A VAL 355.A N ILE 316.A O no hydrogen 2.815 N/A ALA 358.A N PRO 477.A O no hydrogen 3.386 N/A ASN 360.A ND2 ALA 358.A O no hydrogen 3.166 N/A ASN 360.A ND2 PRO 477.A O no hydrogen 3.134 N/A ASN 360.A ND2 GLU 478.A OE1 no hydrogen 3.290 N/A ASN 361.A N ASN 445.A O no hydrogen 2.543 N/A SER 362.A N ASN 360.A OD1 no hydrogen 2.756 N/A THR 364.A N THR 443.A O no hydrogen 2.985 N/A THR 364.A OG1 THR 443.A O no hydrogen 3.209 N/A ALA 367.A N THR 364.A O no hydrogen 2.688 N/A LEU 368.A N THR 364.A O no hydrogen 3.215 N/A LYS 369.A N VAL 365.A O no hydrogen 2.836 N/A GLY 370.A N GLU 366.A O no hydrogen 3.205 N/A GLN 371.A N ALA 367.A O no hydrogen 3.411 N/A ALA 372.A N LEU 368.A O no hydrogen 3.163 N/A GLU 373.A N LYS 369.A O no hydrogen 2.844 N/A VAL 374.A N GLY 370.A O no hydrogen 3.165 N/A ARG 375.A N GLN 371.A O no hydrogen 2.930 N/A ARG 375.A NE GLN 371.A OE1 no hydrogen 2.837 N/A ARG 375.A NH1 ASP 294.A OD1 no hydrogen 2.927 N/A ARG 375.A NH1 ASP 294.A OD2 no hydrogen 3.485 N/A ARG 375.A NH2 ASP 294.A OD1 no hydrogen 3.449 N/A ARG 375.A NH2 GLN 371.A OE1 no hydrogen 3.236 N/A ALA 376.A N ALA 372.A O no hydrogen 2.945 N/A LEU 377.A N GLU 373.A O no hydrogen 3.146 N/A GLU 378.A N VAL 374.A O no hydrogen 3.057 N/A ASN 379.A N ARG 375.A O no hydrogen 2.968 N/A THR 380.A N ALA 376.A O no hydrogen 3.083 N/A THR 380.A OG1 ALA 376.A O no hydrogen 3.092 N/A VAL 381.A N LEU 377.A O no hydrogen 2.753 N/A HIS 382.A N GLU 378.A O no hydrogen 2.824 N/A GLU 383.A N ASN 379.A O no hydrogen 3.139 N/A VAL 384.A N THR 380.A O no hydrogen 3.074 N/A THR 385.A N VAL 381.A O no hydrogen 3.062 N/A THR 385.A OG1 VAL 381.A O no hydrogen 3.232 N/A THR 385.A OG1 HIS 382.A O no hydrogen 2.668 N/A THR 386.A N HIS 382.A O no hydrogen 3.004 N/A THR 386.A OG1 HIS 382.A O no hydrogen 3.393 N/A SER 387.A N GLU 383.A O no hydrogen 3.161 N/A SER 387.A OG GLU 383.A O no hydrogen 3.365 N/A ILE 388.A N VAL 384.A O no hydrogen 2.974 N/A GLY 389.A N THR 385.A O no hydrogen 2.901 N/A LYS 390.A N THR 386.A O no hydrogen 3.078 N/A ARG 391.A N SER 387.A O no hydrogen 3.231 N/A ARG 391.A N ILE 388.A O no hydrogen 2.902 N/A ARG 391.A NE LEU 415.A O no hydrogen 2.794 N/A ARG 391.A NH2 LEU 415.A O no hydrogen 3.129 N/A ILE 392.A N ILE 388.A O no hydrogen 2.767 N/A PHE 393.A N GLY 389.A O no hydrogen 2.829 N/A ASP 394.A N LYS 390.A O no hydrogen 3.109 N/A HIS 395.A N ARG 391.A O no hydrogen 3.032 N/A HIS 395.A ND1 GLU 414.A OE2 no hydrogen 2.946 N/A HIS 395.A NE2 THR 406.A O no hydrogen 2.664 N/A ALA 396.A N ILE 392.A O no hydrogen 2.739 N/A ILE 397.A N PHE 393.A O no hydrogen 2.925 N/A ARG 398.A N ASP 394.A O no hydrogen 3.017 N/A ARG 398.A NE ASP 394.A OD2 no hydrogen 3.201 N/A ARG 398.A NH1 ASN 402.A OD1 no hydrogen 2.764 N/A ARG 398.A NH2 ASP 394.A OD1 no hydrogen 2.877 N/A TYR 399.A N HIS 395.A O no hydrogen 3.052 N/A HIS 401.A N ARG 398.A O no hydrogen 2.803 N/A HIS 401.A ND1 ARG 398.A O no hydrogen 3.195 N/A LEU 404.A N HIS 401.A O no hydrogen 3.265 N/A THR 406.A OG1 LEU 408.A O no hydrogen 3.032 N/A GLU 414.A N ASP 411.A O no hydrogen 2.961 N/A LEU 415.A N LEU 412.A O no hydrogen 3.080 N/A LEU 416.A N LEU 412.A O no hydrogen 2.820 N/A LYS 417.A N ASP 420.A OD2 no hydrogen 3.293 N/A LYS 417.A NZ GLY 413.A O no hydrogen 3.480 N/A LYS 421.A N LYS 417.A O no hydrogen 3.084 N/A LYS 421.A NZ LEU 416.A O no hydrogen 3.372 N/A VAL 422.A N SER 418.A O no hydrogen 2.908 N/A MET 423.A N SER 419.A O no hydrogen 3.129 N/A LEU 424.A N ASP 420.A O no hydrogen 3.085 N/A LYS 425.A N LYS 421.A O no hydrogen 3.071 N/A ARG 426.A N VAL 422.A O no hydrogen 3.199 N/A ARG 427.A N MET 423.A O no hydrogen 3.153 N/A ARG 427.A NE THR 380.A OG1 no hydrogen 2.993 N/A ILE 428.A N LEU 424.A O no hydrogen 3.056 N/A LEU 429.A N LYS 425.A O no hydrogen 2.802 N/A ALA 430.A N ARG 426.A O no hydrogen 3.157 N/A LEU 431.A N ILE 428.A O no hydrogen 2.759 N/A ARG 432.A N LEU 429.A O no hydrogen 2.959 N/A ARG 433.A NE GLN 437.A OE1 no hydrogen 2.864 N/A ARG 433.A NH1 HIS 299.A O no hydrogen 3.063 N/A ARG 433.A NH1 HIS 301.A O no hydrogen 2.858 N/A ARG 433.A NH2 GLN 437.A OE1 no hydrogen 3.358 N/A GLN 437.A N PRO 434.A O no hydrogen 3.085 N/A THR 443.A N PHE 475.A O no hydrogen 3.199 N/A THR 443.A OG1 HIS 444.A ND1 no hydrogen 2.754 N/A THR 443.A OG1 PHE 475.A O no hydrogen 3.293 N/A HIS 444.A ND1 THR 443.A OG1 no hydrogen 2.754 N/A ASN 445.A N SER 362.A O no hydrogen 2.981 N/A VAL 447.A N LYS 359.A O no hydrogen 3.064 N/A ASN 451.A N ASP 448.A OD1 no hydrogen 3.331 N/A ASN 451.A ND2 ASP 448.A OD2 no hydrogen 3.304 N/A ASP 452.A N ASP 449.A O no hydrogen 3.458 N/A ILE 454.A N TYR 320.A OH no hydrogen 3.356 N/A LEU 455.A N ASP 452.A OD2 no hydrogen 2.945 N/A ASN 456.A N ASP 452.A O no hydrogen 2.817 N/A ASN 456.A ND2 ALA 450.A O no hydrogen 2.935 N/A LYS 457.A N LEU 453.A O no hydrogen 2.979 N/A LYS 457.A NZ GLN 460.A OE1 no hydrogen 3.545 N/A ILE 458.A N ILE 454.A O no hydrogen 2.974 N/A ARG 459.A N LEU 455.A O no hydrogen 2.961 N/A ARG 459.A NH1 ASP 449.A O no hydrogen 3.032 N/A ARG 459.A NH1 ASN 456.A OD1 no hydrogen 2.973 N/A ARG 459.A NH2 ASP 449.A O no hydrogen 2.992 N/A GLN 460.A N ASN 456.A O no hydrogen 2.974 N/A VAL 461.A N LYS 457.A O no hydrogen 2.898 N/A GLN 462.A N ILE 458.A O no hydrogen 2.795 N/A GLN 462.A N ARG 459.A O no hydrogen 3.252 N/A LEU 463.A N ILE 458.A O no hydrogen 3.369 N/A ASN 465.A ND2 PRO 439.A O no hydrogen 2.841 N/A ASN 465.A ND2 MET 473.A O no hydrogen 3.048 N/A SER 466.A N ASP 469.A OD2 no hydrogen 3.049 N/A SER 466.A OG SER 468.A OG no hydrogen 2.814 N/A SER 468.A N SER 466.A OG no hydrogen 3.219 N/A SER 468.A OG SER 466.A OG no hydrogen 2.814 N/A ASP 469.A N SER 466.A OG no hydrogen 2.988 N/A ARG 470.A N ASN 338.A OD1 no hydrogen 2.698 N/A ARG 470.A NH1 LYS 348.A O no hydrogen 2.804 N/A ARG 470.A NH1 THR 349.A OG1 no hydrogen 2.699 N/A ARG 470.A NH2 PRO 467.A O no hydrogen 3.341 N/A VAL 471.A N ASN 338.A OD1 no hydrogen 3.187 N/A LYS 472.A N VAL 350.A O no hydrogen 2.608 N/A LYS 472.A NZ SER 466.A O no hydrogen 3.060 N/A LYS 472.A NZ ASP 469.A O no hydrogen 3.411 N/A MET 473.A N ASN 465.A OD1 no hydrogen 2.857 N/A ILE 474.A N ALA 352.A O no hydrogen 2.880 N/A PHE 475.A N ILE 441.A O no hydrogen 2.727 N/A HIS 476.A N ILE 354.A O no hydrogen 2.737 N/A HIS 476.A ND1 GLU 478.A O no hydrogen 3.121 N/A GLU 478.A N HIS 476.A O no hydrogen 2.895 N/A ALA 482.A N ASP 490.A OD1 no hydrogen 2.603 N/A ASN 483.A N ASN 481.A OD1 no hydrogen 2.918 N/A ASN 484.A N ASN 481.A O no hydrogen 2.803 N/A ILE 486.A N ASN 484.A OD1 no hydrogen 3.028 N/A LEU 487.A N ASN 484.A OD1 no hydrogen 2.766 N/A LEU 489.A N LEU 487.A O no hydrogen 2.904 N/A ASP 490.A N GLU 493.A OE1 no hydrogen 3.013 N/A PHE 494.A N ASP 490.A O no hydrogen 2.884 N/A VAL 495.A N TYR 491.A O no hydrogen 2.760 N/A ARG 496.A N ASP 492.A O no hydrogen 3.164 N/A GLY 497.A N GLU 493.A O no hydrogen 3.035 N/A CYS 498.A N VAL 495.A O no hydrogen 2.918 N/A CYS 498.A SG PHE 494.A O no hydrogen 3.539 N/A HIS 499.A N TYR 313.A O no hydrogen 2.821 N/A LEU 500.A N TYR 313.A O no hydrogen 3.227 N/A GLY 501.A N PRO 523.A O no hydrogen 2.970 N/A VAL 502.A N PHE 315.A O no hydrogen 2.906 N/A PHE 503.A N ILE 525.A O no hydrogen 2.821 N/A SER 505.A N PHE 503.A O no hydrogen 2.895 N/A TYR 506.A N ASN 324.A O no hydrogen 2.596 N/A TYR 507.A OH GLU 253.A OE1 no hydrogen 3.077 N/A GLU 516.A N TYR 512.A O no hydrogen 2.603 N/A CYS 517.A N THR 513.A O no hydrogen 3.148 N/A CYS 517.A SG VAL 522.A O no hydrogen 3.292 N/A CYS 517.A SG PRO 523.A O no hydrogen 3.852 N/A THR 518.A N PRO 514.A O no hydrogen 3.214 N/A THR 518.A OG1 PRO 514.A O no hydrogen 2.553 N/A VAL 519.A N ALA 515.A O no hydrogen 2.743 N/A MET 520.A N GLU 516.A O no hydrogen 2.631 N/A GLY 521.A N THR 518.A O no hydrogen 2.800 N/A VAL 522.A N CYS 517.A O no hydrogen 2.899 N/A SER 524.A N GLY 549.A O no hydrogen 3.028 N/A SER 524.A OG PRO 514.A O no hydrogen 3.412 N/A ILE 525.A N GLY 501.A O no hydrogen 2.790 N/A THR 526.A N TYR 551.A O no hydrogen 2.673 N/A THR 527.A OG1 SER 505.A O no hydrogen 2.642 N/A ASN 528.A N VAL 553.A O no hydrogen 3.185 N/A SER 530.A N THR 527.A O no hydrogen 2.961 N/A SER 530.A OG GLU 508.A OE2 no hydrogen 2.762 N/A SER 530.A OG TRP 510.A O no hydrogen 3.472 N/A GLY 531.A N GLU 508.A O no hydrogen 2.526 N/A PHE 532.A N TRP 510.A O no hydrogen 2.806 N/A GLY 533.A N SER 530.A OG no hydrogen 3.392 N/A SER 534.A N SER 530.A O no hydrogen 2.833 N/A SER 534.A OG GLY 531.A O no hydrogen 2.747 N/A TYR 535.A N GLY 531.A O no hydrogen 2.981 N/A MET 536.A N PHE 532.A O no hydrogen 3.028 N/A GLU 537.A N GLY 533.A O no hydrogen 2.883 N/A ASP 538.A N SER 534.A O no hydrogen 3.151 N/A LEU 539.A N MET 536.A O no hydrogen 3.098 N/A ILE 540.A N MET 536.A O no hydrogen 3.303 N/A ASN 543.A N GLU 541.A OE2 no hydrogen 2.765 N/A GLN 544.A N GLU 541.A OE1 no hydrogen 3.216 N/A ALA 545.A N GLU 541.A O no hydrogen 3.020 N/A LYS 546.A NZ GLU 573.A OE1 no hydrogen 3.559 N/A ASP 547.A N GLN 544.A O no hydrogen 2.662 N/A TYR 548.A N ALA 545.A O no hydrogen 3.196 N/A GLY 549.A N LYS 546.A O no hydrogen 3.134 N/A ILE 550.A N ALA 545.A O no hydrogen 2.722 N/A TYR 551.A N SER 524.A O no hydrogen 2.904 N/A VAL 553.A N THR 526.A O no hydrogen 2.675 N/A ASP 554.A N GLN 566.A OE1 no hydrogen 2.681 N/A ARG 555.A N ASN 528.A OD1 no hydrogen 3.151 N/A ARG 555.A NE SER 505.A O no hydrogen 3.424 N/A ARG 555.A NH2 PRO 504.A O no hydrogen 3.304 N/A ARG 556.A N ASP 554.A OD1 no hydrogen 2.856 N/A PHE 557.A N ASP 554.A OD1 no hydrogen 2.913 N/A SER 563.A N ALA 559.A O no hydrogen 2.959 N/A SER 563.A OG ASP 554.A O no hydrogen 2.567 N/A VAL 564.A N PRO 560.A O no hydrogen 3.261 N/A GLU 565.A N ASP 561.A O no hydrogen 3.305 N/A GLN 566.A N GLU 562.A O no hydrogen 3.123 N/A GLN 566.A N SER 563.A O no hydrogen 2.896 N/A LEU 567.A N SER 563.A O no hydrogen 2.829 N/A VAL 568.A N VAL 564.A O no hydrogen 2.898 N/A ASP 569.A N GLU 565.A O no hydrogen 2.972 N/A TYR 570.A N GLN 566.A O no hydrogen 3.068 N/A TYR 570.A OH ILE 552.A O no hydrogen 2.840 N/A MET 571.A N LEU 567.A O no hydrogen 3.093 N/A GLU 572.A N VAL 568.A O no hydrogen 2.991 N/A GLU 573.A N ASP 569.A O no hydrogen 3.084 N/A PHE 574.A N TYR 570.A O no hydrogen 3.007 N/A VAL 575.A N MET 571.A O no hydrogen 2.753 N/A LYS 576.A N GLU 573.A O no hydrogen 3.408 N/A LYS 577.A N PHE 574.A O no hydrogen 3.079 N/A THR 578.A N GLN 581.A OE1 no hydrogen 2.743 N/A ARG 579.A NH1 ASP 309.A OD1 no hydrogen 3.128 N/A ARG 579.A NH2 ASP 309.A OD1 no hydrogen 2.756 N/A GLN 581.A N THR 578.A OG1 no hydrogen 3.137 N/A ARG 582.A N THR 578.A O no hydrogen 2.910 N/A ILE 583.A N ARG 579.A O no hydrogen 3.026 N/A ASN 584.A N ARG 580.A O no hydrogen 2.978 N/A GLN 585.A N GLN 581.A O no hydrogen 2.977 N/A GLN 585.A NE2 LYS 546.A O no hydrogen 3.057 N/A GLN 585.A NE2 TYR 551.A OH no hydrogen 2.893 N/A ARG 586.A N ARG 582.A O no hydrogen 2.817 N/A ARG 586.A NE GLN 282.A OE1 no hydrogen 2.910 N/A ARG 586.A NH2 GLN 282.A OE1 no hydrogen 3.097 N/A ASN 587.A N ILE 583.A O no hydrogen 2.878 N/A ALA 588.A N ASN 584.A O no hydrogen 2.992 N/A THR 589.A N GLN 585.A O no hydrogen 2.992 N/A THR 589.A OG1 TYR 548.A O no hydrogen 3.253 N/A THR 589.A OG1 GLN 585.A O no hydrogen 3.079 N/A GLU 590.A N ARG 586.A O no hydrogen 3.135 N/A ALA 591.A N ASN 587.A O no hydrogen 3.278 N/A LEU 592.A N THR 589.A O no hydrogen 3.194 N/A SER 593.A N GLU 590.A O no hydrogen 3.014 N/A SER 593.A OG GLU 590.A O no hydrogen 2.515 N/A LEU 595.A N LEU 592.A O no hydrogen 2.746 N/A LEU 596.A N SER 593.A O no hydrogen 3.106 N/A ASP 597.A N ASP 594.A O no hydrogen 3.176 N/A TRP 598.A N LEU 270.A O no hydrogen 3.036 N/A TRP 598.A NE1 SER 29.A OG no hydrogen 2.685 N/A LYS 599.A N ASP 597.A OD2 no hydrogen 2.911 N/A ARG 600.A N ASP 597.A O no hydrogen 2.640 N/A MET 601.A N ASP 597.A O no hydrogen 3.161 N/A GLY 602.A N TRP 598.A O no hydrogen 2.994 N/A LEU 603.A N ARG 600.A O no hydrogen 3.346 N/A GLU 604.A N MET 601.A O no hydrogen 3.041 N/A VAL 606.A N GLY 602.A O no hydrogen 3.161 N/A LYS 607.A N LEU 603.A O no hydrogen 3.026 N/A ALA 608.A N GLU 604.A O no hydrogen 2.954 N/A ARG 609.A N TYR 605.A O no hydrogen 3.047 N/A GLN 610.A N VAL 606.A O no hydrogen 2.808 N/A LEU 611.A N LYS 607.A O no hydrogen 2.987 N/A ALA 612.A N ALA 608.A O no hydrogen 3.328 N/A LEU 613.A N ARG 609.A O no hydrogen 3.101 N/A ARG 614.A N GLN 610.A O no hydrogen 2.858 N/A ARG 614.A NE LEU 629.A O no hydrogen 2.882 N/A ARG 614.A NH1 ARG 614.A O no hydrogen 3.451 N/A ARG 614.A NH2 LEU 629.A O no hydrogen 2.841 N/A ARG 615.A N LEU 611.A O no hydrogen 2.758 N/A ARG 615.A NE ASP 631.A O no hydrogen 3.151 N/A ARG 615.A NH1 ASP 241.A O no hydrogen 3.062 N/A ARG 615.A NH1 ASP 263.A OD1 no hydrogen 2.928 N/A ARG 615.A NH1 ASP 263.A OD2 no hydrogen 2.546 N/A ARG 615.A NH2 ASP 263.A OD1 no hydrogen 2.724 N/A ARG 615.A NH2 ASP 631.A O no hydrogen 2.829 N/A GLY 616.A N ALA 612.A O no hydrogen 2.904 N/A TYR 617.A N LEU 613.A O no hydrogen 2.745 N/A TYR 617.A OH ASP 184.A OD2 no hydrogen 3.376 N/A GLN 620.A N GLN 620.A OE1 no hydrogen 3.212 N/A PHE 621.A N TYR 617.A O no hydrogen 2.925 N/A ARG 622.A N PRO 618.A O no hydrogen 2.876 N/A GLU 623.A N ASP 619.A O no hydrogen 2.726 N/A LEU 624.A N GLN 620.A O no hydrogen 2.842 N/A VAL 625.A N PHE 621.A O no hydrogen 2.927 N/A GLY 626.A N ARG 622.A O no hydrogen 2.680 N/A SER 632.A N ASN 630.A OD1 no hydrogen 3.169 N/A SER 632.A OG ASN 630.A OD1 no hydrogen 3.000 N/A MET 634.A N ASP 263.A O no hydrogen 3.243 N/A LEU 637.A N ASN 633.A O no hydrogen 3.338 N/A ALA 638.A N MET 634.A O no hydrogen 3.075 N/A